SCHEMBL869141

SCHEMBL869141

CC(=O)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
LMNA P02545 1/20 0.58
ACHE P22303 1/20 0.53
PRSS1 P07477 1/20 0.52
ACR P10323 1/20 0.52
ATM Q13315 1/20 0.52
KDM4E B2RXH2 2/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAOB P27338 2/20 0.50
CES2 O00748 1/20 0.50
FAAH O00519 2/20 0.49
MAPT P10636 1/20 0.49
PPARG P37231 4/20 0.49
PPARA Q07869 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
BACE1 P56817 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11848431 0.87 PPARG (0.54) CYP3A4LMNAPRSS1ACRATM
SCHEMBL12469535 0.86 ATM (0.50) LMNAPRSS1ACRATMKDM4E
Hydrochloric Acid SCHEMBL11848416 0.86 PPARG (0.52) CYP3A4LMNAPRSS1ACRATM
SCHEMBL9254070 0.85 ATM (0.48) PRSS1ACRATMKDM4EMAOB
SCHEMBL30116329 0.85 PRSS1 (0.55) LMNAPRSS1ACRATMKDM4E
SCHEMBL11904756 0.85 PRSS1 (0.55) LMNAPRSS1ACRATMKDM4E
SCHEMBL11860150 0.85 PRSS1 (0.55) LMNAPRSS1ACRATMKDM4E
SCHEMBL12617322 0.85 ATM (0.52) PRSS1ACRATMKDM4EALDH1A1
SCHEMBL338192 0.84 CYP3A4 (0.65) CYP3A4LMNAACHE
SCHEMBL18697300 0.84 PRSS1 (0.54) LMNAPRSS1ACRATMKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 170 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102977098-B Aryl-substituted indolizine derivative and preparation method and applications thereof UNIV SHAOXING 2015-04-01 CN claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
CN-102977098-A Aryl-substituted indolizine derivative and preparation method and applications thereof UNIV SHAOXING 2013-03-20 CN claimed
CN-119264128-A Thiadiazole and pyridazine parent nucleus compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2025-01-07 CN disclosed
CN-116440926-B Modified ZnIn2S4/BiVO4Heterojunction between benzyl alcohol and CO2Application in photocatalytic carboxylation 重庆工商大学 2024-07-02 CN disclosed
CN-116440926-A Modified ZnIn 2 S 4 /BiVO 4 Heterojunction between benzyl alcohol and CO 2 Application in photocatalytic carboxylation 重庆工商大学 2023-07-18 CN disclosed
CN-113563327-A Novel mesoionic compound and synthesis and application thereof 东莞市东阳光农药研发有限公司 2021-10-29 CN disclosed
CN-110981720-B Diaryl acetate compound and preparation method thereof 河南大学 2020-11-03 CN disclosed
CN-110981720-A Diaryl acetate compound and preparation method thereof 河南大学 2020-04-10 CN disclosed
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
CN-108883399-A Fenfluramine composition and preparation method thereof 周格尼克斯国际有限公司 2018-11-23 CN disclosed
US-4761501-A INTERMEDIATES FOR ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-08-02 US disclosed
EP-0252474-A2 Hydrazine derivatives AMERICAN CYANAMID COMPANY (US) 1988-01-13 EP disclosed
EP-0112669-B1 PHENETHYLAMINE DERIVATIVES AND INTERMEDIATES THEREFOR AMERICAN HOME PRODUCTS CORPORATION (US) 1987-07-29 EP disclosed
EP-0206951-A2 Process for the perfluoroalkylation of aromatic derivatives RHONE-POULENC CHIMIE (FR) 1986-12-30 EP disclosed
US-4611078-A ANTIDEPRESSANT INTERMEDIATES AMERICAN HOME PRODUCTS CORPORATION (US) 1986-09-09 US disclosed
US-4535186-A CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS; VENLAFAXINE AMERICAN HOME PRODUCTS CORPORATION (US) 1985-08-13 US disclosed
EP-0112669-A2 Phenethylamine derivatives and intermediates therefor AMERICAN HOME PRODUCTS CORPORATION (US) 1984-07-04 EP disclosed
US-4426536-A Synthesis of phenylacetic acid esters ELI LILLY AND COMPANY (US) 1984-01-17 US disclosed
US-4331821-A ULTRAVIOLET RADIATION OF A VAPORIZED ALKYLBENZEN AND HALOGEN GAS MIXTURE BAYER AKTIENGESELLSCHAFT (DE) 1982-05-25 US disclosed